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MassBank Record: WA000777

Ethyl Loflazepate; LC-ESI-Q; MS; POS; 75 V, 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000777
RECORD_TITLE: Ethyl Loflazepate; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ethyl Loflazepate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H14ClFN2O3
CH$EXACT_MASS: 360.06770
CH$SMILES: CCOC(=O)C(C(=O)1)N=C(c(c3)c(F)ccc3)c(c2)c(ccc(Cl)2)N1
CH$IUPAC: InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)
CH$LINK: CAS 29177-84-2
CH$LINK: INCHIKEY CUCHJCMWNFEYOM-UHFFFAOYSA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.400 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0190000000-ef5d0eea0acf5caa6707
PK$ANNOTATION: m/z type
  361 [M+H]+
  383 [M+Na]+
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  109 12 12
  122 12 12
  123 8 8
  133 12 12
  138 12 12
  140 55 55
  142 16 16
  163 8 8
  166 141 141
  167 8 8
  168 63 63
  207 8 8
  209 12 12
  211 106 106
  212 12 12
  214 16 16
  226 55 55
  227 20 20
  234 12 12
  237 16 16
  244 12 12
  245 24 24
  246 31 31
  247 8 8
  248 8 8
  254 24 24
  259 999 999
  260 98 98
  261 372 372
  262 51 51
  263 8 8
  269 8 8
  287 67 67
  289 110 110
  290 12 12
  291 31 31
  300 8 8
  361 24 24
  363 8 8
  383 43 43
  385 16 16
//

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